CodeCY8
NameCyclopamine
Synonyms(3alpha,8alpha,14beta,22S,23R)-17,23-epoxyveratraman-3-ol
Identifier(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3',6',10,11b-tetramethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3-ol
FormulaC27 H41 N O2
Molecular Weight411.62
SMILESC[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1
PubChem442972
Formal Charge0
Total Atoms71
Total Chiral Atoms10
Total Bonds76
Total Aromatic Bonds0
Networks2
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This ligand is also present in the following 2 networks:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
4O9R F Protein Frizzled SMO Homo sapiens Cyclopamine - - 3.2 2014-03-05 10.1038/ncomms4309

A 2D representation of the interactions of CY8 in 4O9R
colored according to ConSurf Conservation Grade (See documentation): 

 n/a   1    2    3    4    5    6    7    8    9  

(Click to enlarge 🔍)
Node1 Node2 LinkStrength Comm IsNode1Hub? IsNode2Hub? Node1Cons Node2Cons Node1Shell Node2Shell
R:R:F484 R:R:Y207 5.16 1 Yes Yes 6 7 1 2
R:R:V488 R:R:Y207 8.83 1 Yes Yes 6 7 2 2
R:R:I215 R:R:M301 5.83 0 No No 5 4 2 2
R:R:F484 R:R:I215 3.77 1 Yes No 6 5 1 2
R:R:N219 R:R:P220 6.52 1 Yes Yes 7 8 1 2
R:R:L221 R:R:N219 5.49 1 No Yes 6 7 1 1
R:R:F222 R:R:N219 8.46 1 Yes Yes 6 7 1 1
R:R:D384 R:R:N219 5.39 1 Yes Yes 8 7 1 1
R:R:N219 R:R:V386 4.43 1 Yes Yes 7 5 1 2
L:L:?1 R:R:N219 12.11 1 Yes Yes 0 7 0 1
R:R:F484 R:R:P220 5.78 1 Yes Yes 6 8 1 2
R:R:F222 R:R:L221 4.87 1 Yes No 6 6 1 1
L:L:?1 R:R:L221 4.44 1 Yes No 0 6 0 1
R:R:E226 R:R:F222 8.16 1 Yes Yes 8 6 2 1
R:R:F222 R:R:V386 3.93 1 Yes Yes 6 5 1 2
R:R:F222 R:R:R512 5.34 1 Yes No 6 6 1 2
R:R:F222 R:R:P513 10.11 1 Yes No 6 8 1 1
R:R:F222 R:R:L515 7.31 1 Yes No 6 5 1 2
L:L:?1 R:R:F222 3.91 1 Yes Yes 0 6 0 1
R:R:E226 R:R:R512 13.96 1 Yes No 8 6 2 2
R:R:E226 R:R:L515 6.63 1 Yes No 8 5 2 2
R:R:L303 R:R:M301 4.24 0 No No 3 4 1 2
R:R:D382 R:R:L303 6.79 0 No No 9 3 2 1
L:L:?1 R:R:L303 4.44 1 Yes No 0 3 0 1
R:R:D382 R:R:Y394 5.75 0 No Yes 9 5 2 1
R:R:D384 R:R:V386 8.76 1 Yes Yes 8 5 1 2
R:R:D384 R:R:S387 7.36 1 Yes No 8 8 1 2
R:R:D384 R:R:Y394 4.6 1 Yes Yes 8 5 1 1
L:L:?1 R:R:D384 11.97 1 Yes Yes 0 8 0 1
R:R:F391 R:R:Y394 8.25 0 Yes Yes 8 5 2 1
L:L:?1 R:R:Y394 6.58 1 Yes Yes 0 5 0 1
R:R:K395 R:R:N396 8.39 0 No No 3 7 1 2
L:L:?1 R:R:K395 13.57 1 Yes No 0 3 0 1
R:R:Q477 R:R:Y397 16.91 1 No Yes 6 3 1 2
R:R:E481 R:R:Y397 6.73 1 No Yes 5 3 2 2
R:R:D473 R:R:R400 10.72 1 Yes No 8 9 1 2
R:R:D473 R:R:W480 4.47 1 Yes Yes 8 9 1 2
R:R:D473 R:R:E518 11.69 1 Yes No 8 7 1 1
L:L:?1 R:R:D473 5.44 1 Yes Yes 0 8 0 1
R:R:E481 R:R:Q477 5.1 1 No No 5 6 2 1
L:L:?1 R:R:Q477 8.54 1 Yes No 0 6 0 1
R:R:P513 R:R:W480 22.97 1 No Yes 8 9 1 2
R:R:F484 R:R:V488 7.87 1 Yes Yes 6 6 1 2
L:L:?1 R:R:F484 14.65 1 Yes Yes 0 6 0 1
L:L:?1 R:R:P513 3.95 1 Yes No 0 8 0 1
L:L:?1 R:R:E518 11.69 1 Yes No 0 7 0 1
StatisticsValue
Average Number Of Links12.00
Average Number Of Links With An Hub6.00
Average Interaction Strength8.44
Average Nodes In Shell30.00
Average Hubs In Shell15.00
Average Links In Shell46.00
Average Links Mediated by Hubs In Shell41.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
6D32 F Protein Frizzled SMO Xenopus laevis Cyclopamine Cyclopamine - 3.75 2018-05-23 10.1016/j.cell.2018.04.029

A 2D representation of the interactions of CY8 in 6D32
colored according to ConSurf Conservation Grade (See documentation): 

 n/a   1    2    3    4    5    6    7    8    9  

(Click to enlarge 🔍)
Node1 Node2 LinkStrength Comm IsNode1Hub? IsNode2Hub? Node1Cons Node2Cons Node1Shell Node2Shell
R:R:D68 R:R:S69 5.89 2 Yes Yes 6 7 1 2
R:R:D68 R:R:K78 9.68 2 Yes No 6 5 1 2
R:R:D68 R:R:Y103 11.49 2 Yes Yes 6 7 1 2
R:R:D68 R:R:F139 9.55 2 Yes Yes 6 8 1 2
R:R:D68 W:W:?3 4.35 2 Yes Yes 6 0 1 0
R:R:K78 R:R:S69 6.12 2 No Yes 5 7 2 2
R:R:K78 R:R:Y103 7.17 2 No Yes 5 7 2 2
R:R:L81 W:W:?3 6.66 0 No Yes 4 0 1 0
R:R:I95 R:R:W82 3.52 2 Yes Yes 8 7 2 1
R:R:L99 R:R:W82 12.53 2 No Yes 9 7 2 1
R:R:W82 R:R:Y103 7.72 2 Yes Yes 7 7 1 2
R:R:V130 R:R:W82 3.68 2 No Yes 7 7 1 1
R:R:W136 R:R:W82 3.75 2 Yes Yes 9 7 2 1
R:R:P137 R:R:W82 4.05 2 Yes Yes 9 7 1 1
R:R:L140 R:R:W82 3.42 2 Yes Yes 7 7 2 1
R:R:W82 W:W:?3 8.22 2 Yes Yes 7 0 1 0
R:R:I95 R:R:L99 7.14 2 Yes No 8 9 2 2
R:R:F139 R:R:Y103 5.16 2 Yes Yes 8 7 2 2
R:R:E133 R:R:I129 10.93 0 No No 4 6 1 2
R:R:V130 R:R:W136 15.94 2 No Yes 7 9 1 2
R:R:V130 W:W:?3 3.58 2 No Yes 7 0 1 0
R:R:E133 W:W:?3 18.07 0 No Yes 4 0 1 0
R:R:R134 W:W:?3 8.77 0 No Yes 5 0 1 0
R:R:P137 R:R:W136 5.4 2 Yes Yes 9 9 1 2
R:R:L140 R:R:W136 4.56 2 Yes Yes 7 9 2 2
R:R:F139 R:R:P137 5.78 2 Yes Yes 8 9 2 1
R:R:L140 R:R:P137 13.14 2 Yes Yes 7 9 2 1
R:R:P137 W:W:?3 6.58 2 Yes Yes 9 0 1 0
R:R:F139 R:R:L140 7.31 2 Yes Yes 8 7 2 2
StatisticsValue
Average Number Of Links7.00
Average Number Of Links With An Hub3.00
Average Interaction Strength8.03
Average Nodes In Shell17.00
Average Hubs In Shell10.00
Average Links In Shell29.00
Average Links Mediated by Hubs In Shell28.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)

A 2D representation of the interactions of CY8 in 6D32
colored according to ConSurf Conservation Grade (See documentation): 

 n/a   1    2    3    4    5    6    7    8    9  

(Click to enlarge 🔍)
Node1 Node2 LinkStrength Comm IsNode1Hub? IsNode2Hub? Node1Cons Node2Cons Node1Shell Node2Shell
R:R:F457 R:R:I188 3.77 0 Yes No 7 6 1 2
R:R:N192 R:R:P193 6.52 1 Yes Yes 7 8 1 2
R:R:L194 R:R:N192 5.49 1 Yes Yes 6 7 1 1
R:R:F195 R:R:N192 8.46 1 Yes Yes 6 7 1 1
R:R:D357 R:R:N192 5.39 1 Yes Yes 8 7 1 1
R:R:N192 R:R:V359 4.43 1 Yes Yes 7 7 1 2
L:L:?1 R:R:N192 12.11 1 Yes Yes 0 7 0 1
R:R:F457 R:R:P193 5.78 0 Yes Yes 7 8 1 2
R:R:F195 R:R:L194 4.87 1 Yes Yes 6 6 1 1
R:R:I482 R:R:L194 2.85 0 No Yes 4 6 2 1
R:R:L194 R:R:P486 4.93 1 Yes Yes 6 9 1 2
L:L:?1 R:R:L194 5.55 1 Yes Yes 0 6 0 1
R:R:E199 R:R:F195 5.83 1 Yes Yes 8 6 2 1
R:R:F195 R:R:V359 3.93 1 Yes Yes 6 7 1 2
R:R:F195 R:R:R485 5.34 1 Yes Yes 6 7 1 2
R:R:F195 R:R:P486 8.67 1 Yes Yes 6 9 1 2
R:R:F195 R:R:L488 8.53 1 Yes No 6 6 1 2
L:L:?1 R:R:F195 2.93 1 Yes Yes 0 6 0 1
R:R:E199 R:R:R485 9.3 1 Yes Yes 8 7 2 2
R:R:E199 R:R:L488 7.95 1 Yes No 8 6 2 2
R:R:D355 R:R:Y367 5.75 0 Yes Yes 9 5 2 1
R:R:D355 R:R:K368 4.15 0 Yes No 9 4 2 1
R:R:D357 R:R:V359 8.76 1 Yes Yes 8 7 1 2
R:R:D357 R:R:S360 10.31 1 Yes No 8 8 1 2
R:R:D357 R:R:Y367 4.6 1 Yes Yes 8 5 1 1
L:L:?1 R:R:D357 16.33 1 Yes Yes 0 8 0 1
R:R:F364 R:R:Y367 9.28 0 No Yes 9 5 2 1
R:R:R373 R:R:Y367 3.09 1 Yes Yes 9 5 1 1
L:L:?1 R:R:Y367 15.04 1 Yes Yes 0 5 0 1
R:R:K368 R:R:N369 13.99 0 No No 4 8 1 2
L:L:?1 R:R:K368 4.52 1 Yes No 0 4 0 1
R:R:Q450 R:R:Y370 20.29 1 No Yes 7 4 1 2
R:R:H443 R:R:R373 11.28 0 No Yes 9 9 2 1
R:R:D446 R:R:R373 3.57 1 Yes Yes 7 9 2 1
L:L:?1 R:R:R373 4.87 1 Yes Yes 0 9 0 1
R:R:D446 R:R:E491 7.8 1 Yes No 7 6 2 1
R:R:E454 R:R:Q450 3.82 1 No No 5 7 1 1
L:L:?1 R:R:Q450 8.54 1 Yes No 0 7 0 1
L:L:?1 R:R:E454 3.19 1 Yes No 0 5 0 1
R:R:F457 R:R:V461 7.87 0 Yes No 7 6 1 2
L:L:?1 R:R:F457 5.86 1 Yes Yes 0 7 0 1
R:R:P486 R:R:R485 2.88 1 Yes Yes 9 7 2 2
R:R:L488 R:R:R485 4.86 1 No Yes 6 7 2 2
R:R:E491 R:R:V490 2.85 0 No Yes 6 7 1 2
L:L:?1 R:R:E491 9.56 1 Yes No 0 6 0 1
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub7.00
Average Interaction Strength8.05
Average Nodes In Shell29.00
Average Hubs In Shell17.00
Average Links In Shell45.00
Average Links Mediated by Hubs In Shell43.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)
StatisticsValue
Average Number Of Links10.00
Average Number Of Links With An Hub5.33
Average Interaction Strength8.17
Average Nodes In Shell25.33
Average Hubs In Shell14.00
Average Links In Shell40.00
Average Links Mediated by Hubs In Shell37.33

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Physico-chemical properties of the nodes interacting with this ligand

(Click to enlarge 🔍)

missing image


Location of the nodes interacting with this ligand

(Click to enlarge 🔍)